N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide

C12H17N3O6S — CID 38253533

IUPACN-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O6S/c1-14(9-12(16)13-7-8-21-2)22(19,20)11-6-4-3-5-10(11)15(17)18/h3-6H,7-9H2,1-2H3,(H,13,16)
InChIKeyIXDNMUHYPPMVMH-UHFFFAOYSA-N
MW331.35 g/mol
LogP-0.02
Rot. Bonds8

About N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide

N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide (PubChem CID 38253533) has the molecular formula C12H17N3O6S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide
PubChem CID38253533
Molecular FormulaC12H17N3O6S
Molecular Weight331.35 g/mol
Exact Mass331.08
IUPAC NameN-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O6S/c1-14(9-12(16)13-7-8-21-2)22(19,20)11-6-4-3-5-10(11)15(17)18/h3-6H,7-9H2,1-2H3,(H,13,16)
InChIKeyIXDNMUHYPPMVMH-UHFFFAOYSA-N
XLogP-0.02
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
2-[2-[2-[methyl-(2-nitrophenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 90041316
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]ethyl]acetamide
CID 43891797
N-(2-methoxyethyl)-N'-[(2-nitrophenyl)methylideneamino]propanediamide
CID 3511498
[2,2-dimethyl-3-[methyl-(2-nitrophenyl)sulfonylamino]propyl]carbamic acid
CID 135124192
N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161
3-methoxy-4-[methyl-(2-nitrophenyl)sulfonylamino]butanoic acid
CID 59620493
dilithium bis(3-methoxy-4-[methyl-(2-nitrophenyl)sulfonylamino]butanoate)
CID 143840755
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2278637
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide (CID 38253533) is N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide is COCCNC(=O)CN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is IXDNMUHYPPMVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6S/c1-14(9-12(16)13-7-8-21-2)22(19,20)11-6-4-3-5-10(11)15(17)18/h3-6H,7-9H2,1-2H3,(H,13,16).
What are the key properties of N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide?
N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 331.35 g/mol, XLogP of -0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 38253533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).